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WavePacket
(2016)
WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schrödinger and Liouville–von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born–Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. The graphical capabilities allow visualization of quantum dynamics ‘on the fly’, including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry. The present Part I deals with the description of closed quantum systems in terms of Schrödinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization. The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics. The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found.
Flood loss modeling is an important component for risk analyses and decision support in flood risk management. Commonly, flood loss models describe complex damaging processes by simple, deterministic approaches like depth-damage functions and are associated with large uncertainty. To improve flood loss estimation and to provide quantitative information about the uncertainty associated with loss modeling, a probabilistic, multivariable Bagging decision Tree Flood Loss Estimation MOdel (BT-FLEMO) for residential buildings was developed. The application of BT-FLEMO provides a probability distribution of estimated losses to residential buildings per municipality. BT-FLEMO was applied and validated at the mesoscale in 19 municipalities that were affected during the 2002 flood by the River Mulde in Saxony, Germany. Validation was undertaken on the one hand via a comparison with six deterministic loss models, including both depth-damage functions and multivariable models. On the other hand, the results were compared with official loss data. BT-FLEMO outperforms deterministic, univariable, and multivariable models with regard to model accuracy, although the prediction uncertainty remains high. An important advantage of BT-FLEMO is the quantification of prediction uncertainty. The probability distribution of loss estimates by BT-FLEMO well represents the variation range of loss estimates of the other models in the case study.
We have assembled CO2 emission figures from collections of urban GHG emission estimates published in peer-reviewed journals or reports from research institutes and non-governmental organizations. Analyzing the scaling with population size, we find that the exponent is development dependent with a transition from super- to sub-linear scaling. From the climate change mitigation point of view, the results suggest that urbanization is desirable in developed countries. Further, we compare this analysis with a second scaling relation, namely the fundamental allometry between city population and area, and propose that density might be a decisive quantity too. Last, we derive the theoretical country-wide urban emissions by integration and obtain a dependence on the size of the largest city.
In an eye-tracking study we tested the hypothesis that comprehension is facilitated by a match between the order of the verb and its arguments in a sentence and the order of the actual sensorimotor interaction with these objects (for example, in the phrase put the bag into the box, the order of the arguments corresponds to the order of motor actions: take the bag, put it into the box) could facilitate comprehension of such constructions. We tested 40 native Russian speakers in a visual world sentence-picture matching task. In prepositional constructions, there was no difference between conditions that matched or mismatched sensorimotor stereotypes, whereas in instrumental constructions, sensorimotor stereotypes facilitated comprehension.
Ramsey meets Thünen
(2016)
Land taxes can increase production in the manufacturing sector and enhance land conservation at the same time, which can lead to overall macroeconomic growth. Existing research emphasizes the non-distorting properties of land taxes (when fixed factors are taxed) as well as growth-enhancing impacts (when asset portfolios are shifted to reproducible capital). This paper furthers the neoclassical perspective on land taxes by endogenizing land allocation decisions in a multi-sector growth model. Based on von Thünen’s observation, agricultural land is created from wilderness through conversion and cultivation, both of which are associated with costs. In the steady state of our general equilibrium model, land taxes not only may reduce land consumption (associated with environmental benefits) but may also affect overall economic output, while leaving wages and interest rates unaffected. When labor productivity is higher in the manufacturing than in the agricultural sector and agricultural and manufactured goods are substitutes (or the economy is open to world trade), land taxes increase aggregate economic output. There is a complex interplay of conservation policy, technological change and land taxes, depending on consumer preferences, sectoral labor productivities and openness-to-trade. Our model introduces a new perspective on land taxes in current policy debates on development, tax reforms as well as forest conservation.
Phylogeography of the Small Indian Civet and Origin of Introductions to Western Indian Ocean Islands
(2016)
The biogeographic dynamics affecting the Indian subcontinent, East and Southeast Asia during the Plio-Pleistocene has generated complex biodiversity patterns. We assessed the molecular biogeography of the small Indian civet (Viverricula indica) through mitogenome and cytochrome b + control region sequencing of 89 historical and modern samples to (1) establish a time-calibrated phylogeography across the species’ native range and (2) test introduction scenarios to western Indian Ocean islands. Bayesian phylogenetic analyses identified 3 geographic lineages (East Asia, sister-group to Southeast Asia and the Indian subcontinent + northern Indochina) diverging 3.2–2.3 million years ago (Mya), with no clear signature of past demographic expansion. Within Southeast Asia, Balinese populations separated from the rest 2.6–1.3 Mya. Western Indian Ocean populations were assigned to the Indian subcontinent + northern Indochina lineage and had the lowest mitochondrial diversity. Approximate Bayesian computation did not distinguish between single versus multiple introduction scenarios. The early diversification of the small Indian civet was likely shaped by humid periods in the Late Pliocene–Early Pleistocene that created evergreen rainforest barriers, generating areas of intra-specific endemism in the Indian subcontinent, East, and Southeast Asia. Later, Pleistocene dispersals through drier conditions in South and Southeast Asia were likely, giving rise to the species’ current natural distribution. Our molecular data supported the delineation of only 4 subspecies in V. indica, including an endemic Balinese lineage. Our study also highlighted the influence of prefirst millennium AD introductions to western Indian Ocean islands, with Indian and/or Arab traders probably introducing the species for its civet oil.
Lithium is an important component of some tourmalines, especially in chemically evolved granites and pegmatites. All attempts at synthesizing Li-rich tourmaline have so far been unsuccessful. Here we describe the first synthesis of rossmanitic tourmaline at 4 GPa and 700 degrees C in the system Li2OAl2O3SiO2B2O3H2O (LASBH) from seed-free solid starting materials consisting of a homogenous mixture of Li2O, gamma-Al2O3, quartz and H3BO3. The solid run products after 12-day run duration comprise rossmanitic tourmaline (68 wt%), dumortierite (28 wt%) and traces of spodumene (3 wt%) and coesite (1 wt%). Tourmaline forms idiomorphic, large prismatic crystals (30 X 100 mu m), which are inclusion free and chemically unzoned. The refined cell dimensions of the tourmaline are: a = 15.7396(9) angstrom, c = 7.0575(5) angstrom, V = 1514.1(2) angstrom 3. Conventionally, the Li+ ion is assumed to exclusively occupy the octahedral Y site in the tourmaline structure to a maximum of 2 Li per formula unit (pfu). However, the chemical composition of our synthetic tourmaline determined by electron microprobe and secondary ion mass spectroscopy results in the formula: (X)(square Li-0.67(11)(0.33(11)))(Y)(Al2.53(10)Li0.47(10))(Z)(Al-6)T(Si5.42(15)B0.58(15))O-18(B)(BO3)(3)(V+W)[(OH)(2.40(3))O-1.60(3)], wherein a significant amount of Li occupies the X site for charge balance requirements. Reliable assignment of the OH-stretching vibrations in a polarized single-crystal Raman spectrum such as a single-crystal XRD structure refinement, confirms the incorporation of Li at the X site [0.24(9) and 0.15(5) Li-X pfu, respectively]. The SREF data show that the LiO1 distances are shortened significantly in order to compensate for the smaller ionic radius of Li+ compared to Na+, K+ or Ca2+ at the X site, i.e., Li is closer to the Si6O18 ring and to a sevenfold coordination with oxygen.
We report the results from two experiments examining native and non-native German speakers’ sensitivity to crossover constraints on pronoun resolution. Our critical stimuli sentences contained personal pronouns in either strong (SCO) or weak crossover (WCO) configurations. Using eye-movement monitoring during reading and a gender-mismatch paradigm, Experiment 1 investigated whether a fronted wh-phrase would be considered as a potential antecedent for a pronoun intervening between the wh-phrase and its canonical position. Both native and non-native readers initially attempted coreference in WCO but not in SCO configurations, as evidenced by early gender-mismatch effects in our WCO conditions. Experiment 2 was an offline antecedent judgement task whose results mirrored the SCO/WCO asymmetry observed in our reading-time data. Taken together, our results show that the SCO constraint immediately restricts pronoun interpretation in both native and non-native comprehension, and further suggest that SCO and WCO constraints derive from different sources.
We contribute to the theoretical understanding of randomized search heuristics by investigating their optimization behavior on satisfiable random k-satisfiability instances both in the planted solution model and the uniform model conditional on satisfiability. Denoting the number of variables by n, our main technical result is that the simple () evolutionary algorithm with high probability finds a satisfying assignment in time when the clause-variable density is at least logarithmic. For low density instances, evolutionary algorithms seem to be less effective, and all we can show is a subexponential upper bound on the runtime for densities below . We complement these mathematical results with numerical experiments on a broader density spectrum. They indicate that, indeed, the () EA is less efficient on lower densities. Our experiments also suggest that the implicit constants hidden in our main runtime guarantee are low. Our main result extends and considerably improves the result obtained by Sutton and Neumann (Lect Notes Comput Sci 8672:942-951, 2014) in terms of runtime, minimum density, and clause length. These improvements are made possible by establishing a close fitness-distance correlation in certain parts of the search space. This approach might be of independent interest and could be useful for other average-case analyses of randomized search heuristics. While the notion of a fitness-distance correlation has been around for a long time, to the best of our knowledge, this is the first time that fitness-distance correlation is explicitly used to rigorously prove a performance statement for an evolutionary algorithm.
ObjectivePsychotherapy for hypochondriasis has greatly improved over the last decades and cognitive-behavioral treatments are most promising. However, research on predictors of treatment outcome for hypochondriasis is rare. Possible predictors of treatment outcome in cognitive therapy (CT) and exposure therapy (ET) for hypochondriasis were investigated. MethodCharacteristics and behaviors of 75 patients were considered as possible predictors: sociodemographic variables (sex, age, and cohabitation); psychopathology (pretreatment hypochondriacal symptoms, comorbid mental disorders, and levels of depression, anxiety, and somatic symptoms); and patient in-session interpersonal behavior. ResultsSeverity of pretreatment hypochondriacal symptoms, comorbid mental disorders, and patient in-session interpersonal behavior were significant predictors in multiple hierarchical regression analyses. Interactions between the predictors and the treatment (CT or ET) were not found. ConclusionsIn-session interpersonal behavior is an important predictor of outcome. Furthermore, there are no specific contraindications to treating hypochondriasis with CT or ET.